[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NCC2=CC=CC=C2Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCC(=O)OCC(=O)NCC2=CC=CC=C2Cl)OC

InChI

InChI=1S/C20H22ClNO5/c1-25-16-9-14(10-17(11-16)26-2)7-8-20(24)27-13-19(23)22-12-15-5-3-4-6-18(15)21/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,22,23)